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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50539372
Substrate
n/a
Meas. Tech.
ChEMBL_1977925 (CHEMBL4611060)
IC50
3.8±n/a nM
Citation
 Burmistrov, V; Morisseau, C; D'yachenko, V; Karlov, D; Butov, GM; Hammock, BD Imidazolidine-2,4,5- and pirimidine-2,4,6-triones - New primary pharmacophore for soluble epoxide hydrolase inhibitors with enhanced water solubility. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
Bifunctional epoxide hydrolase 2
Synonyms:
Cytosolic epoxide hydrolase 2 | EBifunctional epoxide hydrolase 2 | EPHX2 | Epoxide hydratase | HYES_HUMAN | Lipid-phosphate phosphatase | Soluble epoxide hydrolase (sEH) | epoxide hydrolase 2, cytoplasmic
Type:
Enzyme
Mol. Mass.:
62613.07
Organism:
Homo sapiens (Human)
Description:
P34913
Residue:
555
Sequence:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKM
  
Inhibitor
Name:
BDBM50539372
Synonyms:
CHEMBL4644920
Type:
Small organic molecule
Emp. Form.:
C34H46N4O6
Mol. Mass.:
606.7522
SMILES:
O=C1N(CCCCCCCCN2C(=O)N(C(=O)C2=O)C23CC4CC(CC(C4)C2)C3)C(=O)C(=O)N1C12CC3CC(CC(C3)C1)C2 |TLB:14:19:22:26.25.24,33:34:37:41.40.39,THB:35:36:39:43.34.42,35:34:37.36.41:39,42:34:37:41.40.39,42:40:37:43.35.34,20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Structure:
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